Molecule

(2S,5aS,8aR)-6-[(4-carboxylatophenyl)methyl]-2-{3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl}-1-methyl-5-oxo-octahydropyrrolo[3,2-e][1,4]diazepin-1-ium

AlkaPlorer ID: AK584461

Synonym: None

IUPAC Name: 4-[[2-[3-[2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-6-yl]methyl]benzoic acid

Structure

SMILES: COCC1CCCN1C(=O)CCC1CNC(=O)C2C(CCN2CC2=CC=C(C(=O)O)C=C2)N1C

InChI: InChI=1S/C25H36N4O5/c1-27-19(9-10-22(30)29-12-3-4-20(29)16-34-2)14-26-24(31)23-21(27)11-13-28(23)15-17-5-7-18(8-6-17)25(32)33/h5-8,19-21,23H,3-4,9-16H2,1-2H3,(H,26,31)(H,32,33)

InChIKey: YRCANMNGRLYKMF-UHFFFAOYSA-N

Reference

Sodwanone and Yardenone Triterpenes from a South African Species of the Marine Sponge Axinella Inhibit Hypoxia-Inducible Factor-1 (HIF-1) Activation in Both Breast and Prostate Tumor Cells

Yardenone A and B: New Cytotoxic Triterpenes from the Indian Ocean Sponge Axinella cf. bidderi

Sodwanone S, a Triterpene from the Marine Sponge Axinella weltneri

PubChem CID: 75111964

COCONUT: CNP0069910.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 472.5860000000003

TPSA？: 102.42

MolLogP？: 1.1755000000000035

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi